Spektraris NMR
Grandifloroside 11-methyl ester
Common Name: Grandifloroside 11-methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(30)7-5-13-4-6-17(28)18(29)10-13)16(24(34)35-2)12-37-25(14)39-26-23(33)22(32)21(31)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-29,31-33H,1,8-9,11H2,2H3/b7-5+/t14-,15+,19-,21-,22+,23-,25+,26+/m1/s1
InChIKey: InChIKey=VDDWXGQJLRBJBO-GWYYIRIBSA-N
Formula: C26H32O13
Molecular Weight: 552.525502
Exact Mass: 552.184291
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Itoh, A., Fujii, K., Tomatsu, S., Takao, C., Tanahashi, T., Nagakura, N., Chen, C.C. J Nat Prod (2003) 66, 1212-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 97.7 |
| 3 (CH) | 153.6 |
| 4 (C) | 111.5 |
| 5 (CH) | 31.6 |
| 6 (CH2) | 30.2 |
| 7 (CH2) | 64.1 |
| 8 (CH) | 135.7 |
| 9 (CH) | 45.4 |
| 10 (CH2) | 119.6 |
| 11 (C) | 169.2 |
| 1' (CH) | 100.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 7a (C) | 169.2 |
| 7b (CH) | 115.1 |
| 7c (CH) | 146.9 |
| 7d (C) | 127.7 |
| 7e (CH) | 115.1 |
| 7f (C) | 146.8 |
| 7g (C) | 149.6 |
| 7h (CH) | 116.5 |
| 7i (CH) | 122.9 |
| 11a (CH3) | 51.8 |
